Compile Data Set for Download or QSAR

Found 491 hits of ic50 for UniProtKB: P20813   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50123453 (CHEMBL3623290) Show SMILES COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OC(=O)N1CCN(C)C[C@H]1C |r| Show InChI InChI=1S/C22H23ClFN5O3/c1-13-11-28(2)7-8-29(13)22(30)32-19-9-14-17(10-18(19)31-3)25-12-26-21(14)27-16-6-4-5-15(23)20(16)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H,25,26,27)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				J Med Chem 58: 8200-15 (2015) Article DOI: 10.1021/acs.jmedchem.5b01073 BindingDB Entry DOI: 10.7270/Q29P33FH
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366395 (CHEMBL4175869) Show SMILES Cl.Cl.NCc1ccc(s1)-c1cnccc1-c1ccccc1 Show InChI InChI=1S/C16H14N2S/c17-10-13-6-7-16(19-13)15-11-18-9-8-14(15)12-4-2-1-3-5-12/h1-9,11H,10,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366411 (CHEMBL4160749) Show SMILES Cl.Cl.NCc1ccc(s1)-c1cnccc1-c1ccoc1 Show InChI InChI=1S/C14H12N2OS/c15-7-11-1-2-14(18-11)13-8-16-5-3-12(13)10-4-6-17-9-10/h1-6,8-9H,7,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366399 (CHEMBL4168669) Show SMILES Cl.Cl.NCc1ccc(s1)-c1cnccc1-c1ccco1 Show InChI InChI=1S/C14H12N2OS/c15-8-10-3-4-14(18-10)12-9-16-6-5-11(12)13-2-1-7-17-13/h1-7,9H,8,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366379 (CHEMBL4165249) Show SMILES Cl.Cl.CCCc1ccncc1-c1ccc(CN)s1 Show InChI InChI=1S/C13H16N2S/c1-2-3-10-6-7-15-9-12(10)13-5-4-11(8-14)16-13/h4-7,9H,2-3,8,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366426 (CHEMBL4161819) Show SMILES Cl.Cl.CCc1ccncc1-c1ccc(CN)s1 Show InChI InChI=1S/C12H14N2S/c1-2-9-5-6-14-8-11(9)12-4-3-10(7-13)15-12/h3-6,8H,2,7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366435 (CHEMBL4161400) Show SMILES Cl.Cl.NCc1ccc(o1)-c1cnccc1-c1ccco1 Show InChI InChI=1S/C14H12N2O2/c15-8-10-3-4-14(18-10)12-9-16-6-5-11(12)13-2-1-7-17-13/h1-7,9H,8,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366394 (CHEMBL4159065) Show SMILES Cl.Cl.NCc1ccc(o1)-c1cnccc1-c1ccccc1 Show InChI InChI=1S/C16H14N2O/c17-10-13-6-7-16(19-13)15-11-18-9-8-14(15)12-4-2-1-3-5-12/h1-9,11H,10,17H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM85509 (CAS_55142-85-3 | NSC_5472 | Ticlopidine) Show SMILES Clc1ccccc1CN1CCc2sccc2C1 Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02071 BindingDB Entry DOI: 10.7270/Q2833X3S
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366407 (CHEMBL4169324) Show SMILES Cl.Cl.NCc1ccc(o1)-c1cnccc1-c1ccoc1 Show InChI InChI=1S/C14H12N2O2/c15-7-11-1-2-14(18-11)13-8-16-5-3-12(13)10-4-6-17-9-10/h1-6,8-9H,7,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366401 (CHEMBL4169721) Show SMILES Cl.Cl.CCCc1ccncc1-c1ccc(CN)o1 Show InChI InChI=1S/C13H16N2O/c1-2-3-10-6-7-15-9-12(10)13-5-4-11(8-14)16-13/h4-7,9H,2-3,8,14H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM85509 (CAS_55142-85-3 | NSC_5472 | Ticlopidine) Show SMILES Clc1ccccc1CN1CCc2sccc2C1 Show InChI InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	DrugBank Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Palacky University in Olomouc Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP2B6 by P450-Glo luminescence assay				J Med Chem 59: 4601-10 (2016) Article DOI: 10.1021/acs.jmedchem.5b01891 BindingDB Entry DOI: 10.7270/Q2D220JZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50614709 (CHEMBL5273615) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem		n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as 8-hydroxyefavirenz 14-hydroxylation after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366393 (CHEMBL4176100) Show SMILES Cl.Cl.Cc1ccncc1-c1ccc(CN)s1 Show InChI InChI=1S/C11H12N2S/c1-8-4-5-13-7-10(8)11-3-2-9(6-12)14-11/h2-5,7H,6,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50380508 (CHEMBL2018923) Show SMILES COc1ccc2nc(SCc3cccc(c3)-c3ccccc3)[nH]c2c1 Show InChI InChI=1S/C21H18N2OS/c1-24-18-10-11-19-20(13-18)23-21(22-19)25-14-15-6-5-9-17(12-15)16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis				J Med Chem 55: 1205-14 (2012) Article DOI: 10.1021/jm201346g BindingDB Entry DOI: 10.7270/Q2QV3NHG
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.19E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as bupropion 4-hydroxylation after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366403 (CHEMBL4164142) Show SMILES Cl.Cl.Cl.NCc1ccc(s1)-c1cnccc1-c1cccnc1 Show InChI InChI=1S/C15H13N3S/c16-8-12-3-4-15(19-12)14-10-18-7-5-13(14)11-2-1-6-17-9-11/h1-7,9-10H,8,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366334 (CHEMBL4173133) Show SMILES Cl.Cl.CCc1ccncc1-c1ccc(CN)o1 Show InChI InChI=1S/C12H14N2O/c1-2-9-5-6-14-8-11(9)12-4-3-10(7-13)15-12/h3-6,8H,2,7,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes assessed as efavirenz 8-hydroxylation after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using 8-hydroxyefavirenz as probe after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50380510 (CHEMBL2018925) Show SMILES COc1ccc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c2c1 Show InChI InChI=1S/C21H18N2O2S/c1-24-17-10-11-19-20(13-17)23-21(22-19)26-14-15-6-5-9-18(12-15)25-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis				J Med Chem 55: 1205-14 (2012) Article DOI: 10.1021/jm201346g BindingDB Entry DOI: 10.7270/Q2QV3NHG
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N6O5S2/c1-24(2)33(42-36(46)43(5)20-29-22-49-35(40-29)25(3)4)34(45)39-28(16-26-12-8-6-9-13-26)18-32(44)31(17-27-14-10-7-11-15-27)41-37(47)48-21-30-19-38-23-50-30/h6-15,19,22-25,28,31-33,44H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t28-,31-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University Curated by ChEMBL					Assay Description Inhibition of human CYP2B6 in human liver microsomes				Antimicrob Agents Chemother 52: 1663-9 (2008) Article DOI: 10.1128/AAC.01600-07 BindingDB Entry DOI: 10.7270/Q2ZC8328
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50265079 ((4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,...) Show SMILES Cn1c2ccc(cc2c(=O)n(Cc2ccc(cc2)C(O)=O)c1=O)C#CCc1ccccc1 Show InChI InChI=1S/C26H20N2O4/c1-27-23-15-12-19(9-5-8-18-6-3-2-4-7-18)16-22(23)24(29)28(26(27)32)17-20-10-13-21(14-11-20)25(30)31/h2-4,6-7,10-16H,8,17H2,1H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Translational Research Institute Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin) using bupropion substrate				J Med Chem 57: 9598-611 (2014) Article DOI: 10.1021/jm501284e BindingDB Entry DOI: 10.7270/Q2P55Q3G
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366398 (CHEMBL4164113) Show SMILES Cl.Cl.NCC#Cc1cnccc1-c1ccccc1 Show InChI InChI=1S/C14H12N2/c15-9-4-7-13-11-16-10-8-14(13)12-5-2-1-3-6-12/h1-3,5-6,8,10-11H,9,15H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50234040 (CHEMBL4060089 | US9765018, Example 114) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2Cl)c1 Show InChI InChI=1S/C31H27ClN2O5/c1-38-27-15-13-20(17-23(27)30(35)36)21-14-16-29(39-28-12-6-8-19-7-2-3-9-22(19)28)26(18-21)34-31(37)33-25-11-5-4-10-24(25)32/h4-6,8,10-18H,2-3,7,9H2,1H3,(H,35,36)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 27: 582-585 (2017) Article DOI: 10.1016/j.bmcl.2016.12.015 BindingDB Entry DOI: 10.7270/Q2QN6914
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50234041 (CHEMBL4060679 | US9765018, Example 116) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2cccc(C)c2)c1 Show InChI InChI=1S/C32H30N2O5/c1-20-7-5-10-24(17-20)33-32(37)34-27-19-23(22-13-15-28(38-2)26(18-22)31(35)36)14-16-30(27)39-29-12-6-9-21-8-3-4-11-25(21)29/h5-7,9-10,12-19H,3-4,8,11H2,1-2H3,(H,35,36)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 27: 582-585 (2017) Article DOI: 10.1016/j.bmcl.2016.12.015 BindingDB Entry DOI: 10.7270/Q2QN6914
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50234039 (CHEMBL4082553 | US9765018, Example 115) Show SMILES COc1ccc(cc1C(O)=O)-c1ccc(Oc2cccc3CCCCc23)c(NC(=O)Nc2ccccc2C)c1 Show InChI InChI=1S/C32H30N2O5/c1-20-8-3-6-12-26(20)33-32(37)34-27-19-23(22-14-16-28(38-2)25(18-22)31(35)36)15-17-30(27)39-29-13-7-10-21-9-4-5-11-24(21)29/h3,6-8,10,12-19H,4-5,9,11H2,1-2H3,(H,35,36)(H2,33,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 27: 582-585 (2017) Article DOI: 10.1016/j.bmcl.2016.12.015 BindingDB Entry DOI: 10.7270/Q2QN6914
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50594408 (CHEMBL5195440) Show SMILES [H][C@@]12CCC(=O)N1CCN(C2)[C@H]1CCC[C@H](C1)NC(=O)c1cc2c(F)ccc(C)c2[nH]1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00167 BindingDB Entry DOI: 10.7270/Q2HQ43XC
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Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366414 (CHEMBL4172017) Show SMILES Cl.Cl.Cl.NCc1ccc(s1)-c1cnccc1-c1ccncc1 Show InChI InChI=1S/C15H13N3S/c16-9-12-1-2-15(19-12)14-10-18-8-5-13(14)11-3-6-17-7-4-11/h1-8,10H,9,16H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366406 (CHEMBL4174365) Show SMILES Cl.Cl.NCC#Cc1cnccc1-c1ccoc1 Show InChI InChI=1S/C12H10N2O/c13-5-1-2-10-8-14-6-3-12(10)11-4-7-15-9-11/h3-4,6-9H,5,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50380505 (CHEMBL2018919) Show SMILES COc1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1 Show InChI InChI=1S/C15H13ClN2OS/c1-19-12-6-7-13-14(8-12)18-15(17-13)20-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis				J Med Chem 55: 1205-14 (2012) Article DOI: 10.1021/jm201346g BindingDB Entry DOI: 10.7270/Q2QV3NHG
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50333117 ((2R,3S)-2,3-bis(2,4-difluorophenyl)-1-(1H-1,2,4-tr...) Show SMILES C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F |r| Show InChI InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as probe after 10 mins				Antimicrob Agents Chemother 53: 541-51 (2009) Article DOI: 10.1128/AAC.01123-08 BindingDB Entry DOI: 10.7270/Q2H13285
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12351 (3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...) Show SMILES Cc1ccsc1-c1cccnc1 Show InChI InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	7.5	n/a
TBA US Patent					Assay Description To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...				US Patent US8906943 (2014) BindingDB Entry DOI: 10.7270/Q23F4NBW
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM12351 (3-(3-methylthiophen-2-yl)pyridine | CHEMBL179669 |...) Show SMILES Cc1ccsc1-c1cccnc1 Show InChI InChI=1S/C10H9NS/c1-8-4-6-12-10(8)9-3-2-5-11-7-9/h2-7H,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration value against human cytochrome P-450 2B6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366404 (CHEMBL4162449) Show SMILES Cl.Cl.COc1ccncc1-c1ccc(CN)o1 Show InChI InChI=1S/C11H12N2O2/c1-14-10-4-5-13-7-9(10)11-3-2-8(6-12)15-11/h2-5,7H,6,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50432670 (CHEMBL2347914) Show SMILES Oc1cc(oc2cccc(=O)c12)-c1cccc(OCC#C)c1 Show InChI InChI=1S/C18H12O4/c1-2-9-21-13-6-3-5-12(10-13)17-11-15(20)18-14(19)7-4-8-16(18)22-17/h1,3-8,10-11,20H,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Xavier University of Louisiana Curated by ChEMBL					Assay Description Inhibition of CYP2B1 (unknown origin)-mediated depentylation of resorufin pentyl ether after 5 mins by spectrofluorimetric analysis				J Med Chem 56: 4082-92 (2013) Article DOI: 10.1021/jm4003654 BindingDB Entry DOI: 10.7270/Q2CN758W
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366400 (CHEMBL4171984) Show SMILES Cl.Cl.CCCc1ccncc1C#CCN Show InChI InChI=1S/C11H14N2/c1-2-4-10-6-8-13-9-11(10)5-3-7-12/h6,8-9H,2,4,7,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50317425 (10-Gingerol | CHEMBL549472) Show SMILES CCCCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r| Show InChI InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hanyang University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 min...				Bioorg Med Chem Lett 27: 1826-1830 (2017) Article DOI: 10.1016/j.bmcl.2017.02.047 BindingDB Entry DOI: 10.7270/Q2VD71Q0
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50380507 (CHEMBL2018921) Show SMILES COc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1 Show InChI InChI=1S/C15H13IN2OS/c1-19-12-6-7-13-14(8-12)18-15(17-13)20-9-10-2-4-11(16)5-3-10/h2-8H,9H2,1H3,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis				J Med Chem 55: 1205-14 (2012) Article DOI: 10.1021/jm201346g BindingDB Entry DOI: 10.7270/Q2QV3NHG
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM370452 (2-(7-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...) Show SMILES OC(CC1c2cc(Cl)ccc2-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21ClN2O/c19-13-6-7-14-15(8-13)16(21-11-20-10-17(14)21)9-18(22)12-4-2-1-3-5-12/h6-8,10-12,16,18,22H,1-5,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662 BindingDB Entry DOI: 10.7270/Q21G0QNZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366402 (CHEMBL4172462) Show SMILES Cl.Cl.COc1ccncc1-c1ccc(CN)s1 Show InChI InChI=1S/C11H12N2OS/c1-14-10-4-5-13-7-9(10)11-3-2-8(6-12)15-11/h2-5,7H,6,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM370424 (2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)-1- cyc...) Show SMILES OC(CC1c2c(cccc2Cl)-c2cncn12)C1CCCCC1 Show InChI InChI=1S/C18H21ClN2O/c19-14-8-4-7-13-16-10-20-11-21(16)15(18(13)14)9-17(22)12-5-2-1-3-6-12/h4,7-8,10-12,15,17,22H,1-3,5-6,9H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
NewLink Genetics Corporation Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				J Med Chem 62: 6705-6733 (2019) Article DOI: 10.1021/acs.jmedchem.9b00662 BindingDB Entry DOI: 10.7270/Q21G0QNZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM124950 (US8765972, 3) Show SMILES CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				ACS Med Chem Lett 10: 534-538 (2019) Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50366410 (CHEMBL4163694) Show SMILES Cl.Cl.NCC#Cc1cnccc1-c1ccco1 Show InChI InChI=1S/C12H10N2O/c13-6-1-3-10-9-14-7-5-11(10)12-4-2-8-15-12/h2,4-5,7-9H,6,13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington State University Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins followed by addition of NADPH-regenerating system...				J Med Chem 61: 7065-7086 (2018) Article DOI: 10.1021/acs.jmedchem.8b00084 BindingDB Entry DOI: 10.7270/Q2QN69B5
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50234038 (CHEMBL4097275) Show SMILES CC(C)(C)c1ccccc1Oc1ccc(cc1NC(=O)Nc1ccc(OC(F)(F)F)cc1)-c1cccc(c1)C(O)=O Show InChI InChI=1S/C31H27F3N2O5/c1-30(2,3)24-9-4-5-10-26(24)40-27-16-11-20(19-7-6-8-21(17-19)28(37)38)18-25(27)36-29(39)35-22-12-14-23(15-13-22)41-31(32,33)34/h4-18H,1-3H3,(H,37,38)(H2,35,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				Bioorg Med Chem Lett 27: 582-585 (2017) Article DOI: 10.1016/j.bmcl.2016.12.015 BindingDB Entry DOI: 10.7270/Q2QN6914
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50380518 (CHEMBL2018906) Show SMILES CCSc1nc2ccc(OC)cc2[nH]1 Show InChI InChI=1S/C10H12N2OS/c1-3-14-10-11-8-5-4-7(13-2)6-9(8)12-10/h4-6H,3H2,1-2H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 5 mins by LC-MS/MS analysis				J Med Chem 55: 1205-14 (2012) Article DOI: 10.1021/jm201346g BindingDB Entry DOI: 10.7270/Q2QV3NHG
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Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM601033 (1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole...) Show SMILES FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00162 BindingDB Entry DOI: 10.7270/Q2KH0SDZ
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50158914 (3-(1-Benzyl-1H-imidazol-4-yl)-pyridine | CHEMBL178...) Show SMILES C(c1ccccc1)n1cnc(c1)-c1cccnc1 Show InChI InChI=1S/C15H13N3/c1-2-5-13(6-3-1)10-18-11-15(17-12-18)14-7-4-8-16-9-14/h1-9,11-12H,10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration value against human cytochrome P-450 2B6				J Med Chem 48: 224-39 (2005) Article DOI: 10.1021/jm049696n BindingDB Entry DOI: 10.7270/Q2T154DB
					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50335818 (6-(3-Hydroxyphenyl)-1-(pyridin-3-yl)-2-naphthol | ...) Show SMILES Oc1cccc(c1)-c1ccc2c(c(O)ccc2c1)-c1cccnc1 Show InChI InChI=1S/C21H15NO2/c23-18-5-1-3-14(12-18)15-6-8-19-16(11-15)7-9-20(24)21(19)17-4-2-10-22-13-17/h1-13,23-24H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University Curated by ChEMBL					Assay Description Inhibition of human CYP2B6				J Med Chem 54: 534-47 (2011) Article DOI: 10.1021/jm1009082 BindingDB Entry DOI: 10.7270/Q2WH2Q7F
					More data for this Ligand-Target Pair

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